Orca 5.0.2 RELEASE 1 2 3 4 5 6 14s9p3d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s5p3d1f 5s3p2d1f 5s3p2d1f 5s3p2d1f 5s3p2d1f 3s2p1d 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 Cl F F F F F F F F O O O O N N C C C C C C C C C C C C C C C C C H H H H H H H H H 1 2 2 2 2 2 2 2 2 3 3 3 3 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 483.6331255999998 AuxInfo=1/0/N:31,29,30,22,20,21,17,19,27,28,16,24,26,23,25,18,32,1,5,6,4,2,3,7,8,9,14,15,13,12,10,11/E:(2,3)(9,10)(19,20)(22,23)(24,25,26)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,15.3,29.1,30.1/rA:41nClFFFFFFFFOOO1O1NNC3C3CC3C3C3C3CC3C3C3C3C3C3C3C3CHHHHHHHHH/rB:;;;;;;;;;;;;;;s10;s14;s2s3s10;s1s16;s16;s17s19;s17s20;s4s11s18;;s12s14s15;s13s15s24;s5s24;s6s24;s27;s28;s29s30;s7s8s9s11;s20;s21;s22;s23;s14;s15;s29;s30;s31;/rC:2.5657,-2.0409,-.7075;3.6624,1.689,1.0984;4.2477,2.7495,-.688;6.4116,1.7982,.483;-6.5073,-1.3516,-1.5972;-6.4065,1.7809,1.8656;5.9125,-1.9428,-.5469;6.0006,-2.0945,1.5973;7.5094,-.993,.5206;3.3805,.71,-.8927;5.4379,-.2038,.7604;-2.4113,-2.1394,.1414;-4.4251,1.4492,-.2067;-2.098,.095,-.2202;-4.2166,-.7935,.1327;2.0308,.5962,-.6712;-.7136,.1862,-.3573;4.158,1.5205,-.1379;1.5062,-.6851,-.5977;1.1726,1.6804,-.5855;.1453,-.9052,-.4546;-.1821,1.4756,-.4201;5.5576,.899,-.0765;-6.402,.2114,.1355;-2.8347,-1.0085,.0178;-4.9256,.3605,-.0022;-7.1529,-.615,-.6889;-7.1023,.9838,1.0539;-8.5284,-.6842,-.6221;-8.4748,.9365,1.1698;-9.1803,.0987,.3182;6.2124,-1.2897,.5721;1.5443,2.6937,-.6565;-.2205,-1.9181,-.4202;-.8377,2.3341,-.3448;5.9127,.6553,-1.0821;-2.6086,.9727,-.2685;-4.7272,-1.6395,.353;-9.0759,-1.331,-1.2944;-8.981,1.5429,1.9087;-10.2587,.0565,.3885; Method DFT(GTOs) Exchange WB97X-D3 Correlation WB97X-D3 PostSCFGGA off Hybrid DFT is turned on ScalHFX 0.195728 ScalDFX 0.000000 ScalDFC 1.000000 ScalLDAC 1.000000 Perturbative correction 0.000000 Density functional embedding theory OFF Long-range corrected/Screened/Range-Separated Hybrid DFT is turned on Amount of maximum screened exact exchange 0.804272 Range separation parameter mu (erf(mu*r12)/r12) 0.250000 RI-approximation to the Coulomb term is turned on functions 1669 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 246 Dim 1129 ENuc 3427.0177716814 Eh CNVDIIS on DIISMaxIt 12 DIISStart 0.200000 DIISMaxEq 5 DIISBfac 1.050 DIISMaxC 10.000 CNVTRAH auto Auto Start mean grad. ratio tolernc. 1.125000 Auto Start start iteration 20 Auto Start num. interpolation iter. 10 iterations 16 iterations Maxiter - #DIIS iter Number of Davidson start vectors 2 Converg. threshold I (grad. norm) 1.000e-04 Converg. threshold II (energy diff.) 1.000e-07 Micro threshold 0.100 Minimum threshold for Micro iter. 0.010 NR start threshold (gradient norm) 0.001 Initial trust radius 0.400 Minimum AH scaling param. (alpha) 1.000 Maximum AH scaling param. (alpha) 1000.000 Orbital update algorithm Taylor David. guess on Maximum white noise 0.010 Quad. conv. algorithm NR CNVSOSCF off CNVShift on LevelShift 0.2500 ShiftErr 0.0010 CNVZerner off CNVDamp on DampFac 0.7000 DampMax 0.9800 DampMin 0.0000 DampErr 0.1000 CNVRico off MaxIter 125 SCFMode Direct Integral package SHARK and LIBINT hybrid scheme DirectResetFreq 20 Thresh 3.000e-11 Eh TCut 1.000e-12 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-07 Eh 1-El. energy change 1.000e-04 Eh TolErr 1.000e-07 Smallest eigenvalue 6.837e-06 Time for diagonalization 0.271 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.288 sec Total time needed 0.568 sec 17 9 9 9 9 9 9 9 9 8 8 8 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 483.6331255999998 AuxInfo=1/0/N:31,29,30,22,20,21,17,19,27,28,16,24,26,23,25,18,32,1,5,6,4,2,3,7,8,9,14,15,13,12,10,11/E:(2,3)(9,10)(19,20)(22,23)(24,25,26)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,15.3,29.1,30.1/rA:41nClFFFFFFFFOOO1O1NNC3C3CC3C3C3C3CC3C3C3C3C3C3C3C3CHHHHHHHHH/rB:;;;;;;;;;;;;;;s10;s14;s2s3s10;s1s16;s16;s17s19;s17s20;s4s11s18;;s12s14s15;s13s15s24;s5s24;s6s24;s27;s28;s29s30;s7s8s9s11;s20;s21;s22;s23;s14;s15;s29;s30;s31;/rC:2.5657,-2.0409,-.7075;3.6624,1.689,1.0984;4.2477,2.7495,-.688;6.4116,1.7982,.483;-6.5073,-1.3516,-1.5972;-6.4065,1.7809,1.8656;5.9125,-1.9428,-.5469;6.0006,-2.0945,1.5973;7.5094,-.993,.5206;3.3805,.71,-.8927;5.4379,-.2038,.7604;-2.4113,-2.1394,.1414;-4.4251,1.4492,-.2067;-2.098,.095,-.2202;-4.2166,-.7935,.1327;2.0308,.5962,-.6712;-.7136,.1862,-.3573;4.158,1.5205,-.1379;1.5062,-.6851,-.5977;1.1726,1.6804,-.5855;.1453,-.9052,-.4546;-.1821,1.4756,-.4201;5.5576,.899,-.0765;-6.402,.2114,.1355;-2.8347,-1.0085,.0178;-4.9256,.3605,-.0022;-7.1529,-.615,-.6889;-7.1023,.9838,1.0539;-8.5284,-.6842,-.6221;-8.4748,.9365,1.1698;-9.1803,.0987,.3182;6.2124,-1.2897,.5721;1.5443,2.6937,-.6565;-.2205,-1.9181,-.4202;-.8377,2.3341,-.3448;5.9127,.6553,-1.0821;-2.6086,.9727,-.2685;-4.7272,-1.6395,.353;-9.0759,-1.331,-1.2944;-8.981,1.5429,1.9087;-10.2587,.0565,.3885; 0 1 wb97x-d3 def2-TZVPP def2/J RIJCOSX DEFGRID2 scfconv7 smallprint printgap noloewdin NOSOSCF MaxCore 8000 %output print[P_BondOrder_M] 1 print[P_Mayer] 1 print[P_basis] 2 pal nprocs 4 cpcm smd true smdsolvent "1-OCTANOL" 483.6331255999998 AuxInfo=1/0/N:31,29,30,22,20,21,17,19,27,28,16,24,26,23,25,18,32,1,5,6,4,2,3,7,8,9,14,15,13,12,10,11/E:(2,3)(9,10)(19,20)(22,23)(24,25,26)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,15.3,29.1,30.1/rA:41nClFFFFFFFFOOO1O1NNC3C3CC3C3C3C3CC3C3C3C3C3C3C3C3CHHHHHHHHH/rB:;;;;;;;;;;;;;;s10;s14;s2s3s10;s1s16;s16;s17s19;s17s20;s4s11s18;;s12s14s15;s13s15s24;s5s24;s6s24;s27;s28;s29s30;s7s8s9s11;s20;s21;s22;s23;s14;s15;s29;s30;s31;/rC:2.5657,-2.0409,-.7075;3.6624,1.689,1.0984;4.2477,2.7495,-.688;6.4116,1.7982,.483;-6.5073,-1.3516,-1.5972;-6.4065,1.7809,1.8656;5.9125,-1.9428,-.5469;6.0006,-2.0945,1.5973;7.5094,-.993,.5206;3.3805,.71,-.8927;5.4379,-.2038,.7604;-2.4113,-2.1394,.1414;-4.4251,1.4492,-.2067;-2.098,.095,-.2202;-4.2166,-.7935,.1327;2.0308,.5962,-.6712;-.7136,.1862,-.3573;4.158,1.5205,-.1379;1.5062,-.6851,-.5977;1.1726,1.6804,-.5855;.1453,-.9052,-.4546;-.1821,1.4756,-.4201;5.5576,.899,-.0765;-6.402,.2114,.1355;-2.8347,-1.0085,.0178;-4.9256,.3605,-.0022;-7.1529,-.615,-.6889;-7.1023,.9838,1.0539;-8.5284,-.6842,-.6221;-8.4748,.9365,1.1698;-9.1803,.0987,.3182;6.2124,-1.2897,.5721;1.5443,2.6937,-.6565;-.2205,-1.9181,-.4202;-.8377,2.3341,-.3448;5.9127,.6553,-1.0821;-2.6086,.9727,-.2685;-4.7272,-1.6395,.353;-9.0759,-1.331,-1.2944;-8.981,1.5429,1.9087;-10.2587,.0565,.3885; Epsilon 9.8629 Refrac 1.4295 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Cl F O N C H 2.3800 1.7300 1.6280 1.8900 1.8500 1.2000 Solvent: 1-OCTANOL Soln 1.4295 Soln25 1.4279 Sola 0.3700 Solb 0.4800 Solg 39.0100 Solc 0.0000 Solh 0.0000 Calculating surface done! ( 0.0s) GEPOL surface points 2349 GEPOL Volume 2823.2983 GEPOL Surface-area 1539.4708 Calculating surface distance matrix done! ( 0.0s) Performing Cholesky decomposition & store done! ( 0.3s) Overall time for CPCM initialization 0.3s -2322.91666277 3427.01777168 -5749.93443445 -10021.90512958 4271.97069513 -0.03474054 -4638.58262587 2315.66596310 2.00313115 123.000000722515 123.000000722515 246.000001445030 -181.039557922352 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705 706 707 708 709 710 711 712 713 714 715 716 717 718 719 720 721 722 723 724 725 726 727 728 729 730 731 732 733 734 735 736 737 738 739 740 741 742 743 744 745 746 747 748 749 750 751 752 753 754 755 756 757 758 759 760 761 762 763 764 765 766 767 768 769 770 771 772 773 774 775 776 777 778 779 780 781 782 783 784 785 786 787 788 789 790 791 792 793 794 795 796 797 798 799 800 801 802 803 804 805 806 807 808 809 810 811 812 813 814 815 816 817 818 819 820 821 822 823 824 825 826 827 828 829 830 831 832 833 834 835 836 837 838 839 840 841 842 843 844 845 846 847 848 849 850 851 852 853 854 855 856 857 858 859 860 861 862 863 864 865 866 867 868 869 870 871 872 873 874 875 876 877 878 879 880 881 882 883 884 885 886 887 888 889 890 891 892 893 894 895 896 897 898 899 900 901 902 903 904 905 906 907 908 909 910 911 912 913 914 915 916 917 918 919 920 921 922 923 924 925 926 927 928 929 930 931 932 933 934 935 936 937 938 939 940 941 942 943 944 945 946 947 948 949 950 951 952 953 954 955 956 957 958 959 960 961 962 963 964 965 966 967 968 969 970 971 972 973 974 975 976 977 978 979 980 981 982 983 984 985 986 987 988 989 990 991 992 993 994 995 996 997 998 999 1000 1001 1002 1003 1004 1005 1006 1007 1008 1009 1010 1011 1012 1013 1014 1015 1016 1017 1018 1019 1020 1021 1022 1023 1024 1025 1026 1027 1028 1029 1030 1031 1032 1033 1034 1035 1036 1037 1038 1039 1040 1041 1042 1043 1044 1045 1046 1047 1048 1049 1050 1051 1052 1053 1054 1055 1056 1057 1058 1059 1060 1061 1062 1063 1064 1065 1066 1067 1068 1069 1070 1071 1072 1073 1074 1075 1076 1077 1078 1079 1080 1081 1082 1083 1084 1085 1086 1087 1088 1089 1090 1091 1092 1093 1094 1095 1096 1097 1098 1099 1100 1101 1102 1103 1104 1105 1106 1107 1108 1109 1110 1111 1112 1113 1114 1115 1116 1117 1118 1119 1120 1121 1122 1123 1124 1125 1126 1127 1128 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -2765.4269 -675.8966 -675.8671 -675.8279 -675.6311 -675.4382 -675.3314 -675.2644 -675.1913 -525.6790 -525.3018 -523.5802 -523.0227 -394.1112 -393.7429 -288.2900 -286.3701 -284.4532 -284.0038 -283.7791 -282.7775 -282.7515 -281.9993 -281.7497 -281.5265 -280.7703 -280.4479 -280.2623 -280.1759 -280.1535 -280.1424 -280.1242 -260.6968 -199.5364 -199.2972 -199.2836 -40.0884 -38.7901 -37.3724 -37.2843 -37.2559 -37.2254 -37.1933 -36.7604 -33.9369 -33.5626 -33.0771 -32.4013 -29.5492 -29.0270 -27.8705 -27.4973 -26.3194 -25.5762 -24.8535 -24.1557 -24.1313 -23.6456 -22.8423 -22.0874 -21.6767 -21.0118 -20.6637 -20.4515 -20.3872 -20.2337 -20.1374 -20.0662 -19.6494 -19.1545 -18.9038 -18.8617 -18.7658 -18.2879 -17.8729 -17.8223 -17.5520 -17.2313 -16.7449 -16.5819 -16.4902 -16.3769 -16.3152 -16.2547 -16.1582 -16.1085 -16.0452 -15.8940 -15.8105 -15.4736 -15.3385 -15.2690 -15.2435 -15.1640 -15.0859 -14.9850 -14.8696 -14.7119 -14.5936 -14.5351 -14.5081 -14.3898 -14.1818 -13.9456 -13.7050 -13.5768 -13.3172 -13.2798 -13.0377 -13.0062 -12.9442 -12.6511 -12.5569 -12.1704 -11.3466 -11.2138 -11.1398 -10.8600 -10.6485 -9.8595 -9.5208 -9.5070 -8.6120 0.3888 1.1975 1.2484 1.5754 2.1754 2.9175 3.3037 3.7876 3.9316 4.0375 4.1685 4.3259 4.6476 4.7700 4.9282 4.9677 5.0543 5.2281 5.4519 5.5757 5.6850 5.7903 5.9292 6.0721 6.2084 6.2641 6.4621 6.4999 6.7259 6.8988 6.9910 7.0894 7.2911 7.3269 7.3917 7.5704 7.6948 7.7881 7.9049 8.0972 8.2176 8.2497 8.3161 8.3644 8.5222 8.6356 8.6829 8.8210 8.8731 8.9236 8.9746 9.0671 9.0919 9.1572 9.3595 9.4703 9.6380 9.8640 9.9591 10.0913 10.1744 10.3350 10.3531 10.5234 10.6191 10.8740 10.9214 11.0159 11.0740 11.1256 11.2931 11.4168 11.5102 11.5551 11.6804 11.7642 11.8217 11.9498 11.9886 12.0714 12.1050 12.2496 12.3034 12.4827 12.6478 12.7816 12.9049 13.1106 13.2151 13.3563 13.4407 13.5178 13.5925 13.7045 13.8016 13.8427 13.8972 14.1063 14.1830 14.2420 14.3005 14.5879 14.6806 14.7992 15.0202 15.1317 15.2681 15.3959 15.5136 15.5809 15.6683 15.9226 15.9977 16.1453 16.2805 16.3142 16.4017 16.6013 16.7074 16.8504 16.9136 17.0853 17.1464 17.4232 17.5575 17.6265 17.7160 17.7934 17.8475 18.0850 18.2272 18.2776 18.5141 18.5901 18.8682 18.9303 18.9857 19.3597 19.4050 19.6195 19.8143 19.8935 20.0285 20.1674 20.2678 20.4200 20.5398 20.6112 20.7681 20.8592 20.9842 21.0255 21.1909 21.3013 21.5145 21.5631 21.7092 21.7664 21.9432 22.1179 22.1929 22.2214 22.3667 22.5570 22.6353 22.7403 22.9526 22.9928 23.1200 23.2156 23.3802 23.5887 23.7056 23.8550 23.9684 24.0159 24.1100 24.2255 24.3877 24.5226 24.7027 24.7242 24.8002 24.9543 24.9970 25.1151 25.1969 25.3435 25.6086 25.8703 25.9591 26.0339 26.2454 26.4819 26.5516 26.6860 26.8415 26.9289 27.1001 27.3138 27.4761 27.4937 27.6377 27.6987 27.9244 28.0681 28.1460 28.3859 28.4570 28.5959 28.7558 28.8239 28.9498 29.0262 29.1890 29.2856 29.3735 29.5843 29.7431 30.1200 30.1713 30.4126 30.5731 30.7254 30.9229 30.9782 31.1195 31.1907 31.3414 31.3614 31.6270 31.8491 32.0365 32.2362 32.3235 32.5278 32.6539 32.7897 33.0195 33.2612 33.4548 33.7141 34.0360 34.3169 34.5000 34.5719 34.8717 35.1116 35.1579 35.3709 35.5017 35.5408 35.6577 35.7514 35.8559 36.2294 36.3345 36.4640 36.6062 36.9225 37.0901 37.2056 37.5578 37.5957 37.7164 37.8703 37.9694 38.2693 38.4238 38.7881 39.0048 39.2193 39.3242 39.4532 39.7052 39.8758 39.9839 40.2047 40.3027 40.4369 40.7340 40.8749 41.0097 41.2822 41.4554 41.5734 41.6389 41.7049 42.0070 42.2203 42.4321 42.5381 42.5967 43.0219 43.3492 43.5102 43.7553 43.9306 44.0159 44.1317 44.3975 44.5263 44.7072 44.9334 45.0036 45.1767 45.5036 45.6479 45.8704 46.2291 46.4820 46.7612 47.0224 47.1145 47.3743 47.4722 47.6354 47.8696 48.1508 48.1791 48.3662 48.6188 48.7491 48.8692 49.0735 49.1508 49.3503 49.5116 49.9520 50.0512 50.4881 50.5715 50.7000 50.9371 51.1379 51.4495 51.6450 51.7959 52.0685 52.1968 52.4539 52.5770 52.6419 53.0213 53.3183 53.4230 53.4893 53.5205 53.8388 53.9116 53.9363 54.4054 54.5246 54.8225 55.1552 55.3694 55.6338 55.6872 55.7392 55.8640 56.1259 56.2434 56.3325 56.5190 56.7552 56.9250 57.1534 57.2728 57.4882 57.6408 57.8127 57.9833 58.1931 58.2691 58.6273 58.8584 59.2344 59.4017 59.7643 59.8214 59.9659 60.0124 60.0720 60.3699 60.4158 60.6004 60.9640 61.0968 61.1890 61.4360 61.5177 62.0336 62.1913 62.3739 62.8674 62.9613 63.2703 63.6237 63.7191 63.8176 63.9137 64.0189 64.2229 64.2597 64.5442 64.7534 64.8935 65.1272 65.3398 65.4404 65.7324 65.8209 65.8973 66.1558 66.3261 66.5988 66.6417 66.7519 66.9099 67.0249 67.0777 67.2144 67.4217 67.5280 67.6958 67.9900 68.0409 68.1094 68.4041 68.5743 68.6701 68.9641 69.3462 69.7531 70.3193 70.6378 70.8657 71.0081 71.1564 71.3038 71.3421 71.8275 72.0099 72.1820 72.8697 73.0309 73.0574 73.2408 73.3971 73.9255 74.1057 74.7118 74.9111 75.1829 75.3463 75.6739 75.9421 75.9628 75.9947 76.2489 76.4599 76.6031 76.7450 76.9459 77.3013 77.4945 77.6762 78.0873 78.2436 78.6210 78.8661 78.9350 79.0863 79.2901 79.3503 79.5823 79.6051 79.7846 79.9105 80.0271 80.1232 80.4412 80.5158 80.7288 80.9110 81.0023 81.1268 81.5003 81.5472 81.7018 81.7950 82.0708 82.1857 82.2779 82.5443 82.6281 82.6726 82.8857 82.9813 83.1265 83.2021 83.3089 83.5096 83.5745 83.6879 83.9199 84.0751 84.3571 84.4482 84.5203 84.6255 84.6775 84.9113 85.1279 85.2151 85.3750 85.5615 85.5727 85.8429 86.0043 86.1180 86.2620 86.4607 86.5813 86.8150 86.9110 87.1967 87.2621 87.3850 87.6045 87.6514 87.7920 87.8598 87.9582 88.0623 88.3796 88.5130 88.5253 88.6576 88.6993 88.7573 88.9909 89.1428 89.1910 89.2805 89.5430 89.6703 89.7580 89.9498 90.0354 90.1757 90.4882 90.5691 90.6979 90.8184 90.9371 90.9811 91.0982 91.1112 91.5489 91.7079 91.8442 92.0564 92.2695 92.5038 92.5974 92.7729 93.1511 93.3059 93.4070 93.4870 93.6071 93.7683 93.9657 94.1596 94.2093 94.4598 94.5538 94.7273 94.8440 95.0186 95.2034 95.2979 95.5403 95.8313 95.8579 96.2130 96.2487 96.3596 96.5464 96.5948 96.7841 96.9193 96.9984 97.1076 97.3359 97.4458 97.5770 97.7493 97.8932 98.2066 98.3344 98.5736 98.7740 98.9140 99.3176 99.3613 99.9568 100.0303 100.2281 100.3726 100.4881 100.5320 100.7409 100.8248 101.2238 101.3825 101.4730 101.8481 101.9893 102.1849 102.4806 102.6628 102.7513 102.8096 103.3265 103.5792 103.8775 104.1196 104.1601 104.2565 104.4094 104.6932 105.1628 105.2097 105.2986 105.4089 105.5054 105.6437 105.7142 105.9734 106.0793 106.2057 106.4273 106.4947 107.0513 107.0570 107.3800 107.4239 107.5541 107.7854 107.8880 108.0794 108.3471 108.5505 108.6439 108.7632 108.9097 108.9941 109.1675 109.8140 110.0444 110.3555 110.5495 110.6689 110.8300 110.9373 111.1833 111.5302 111.6678 111.7406 112.0959 112.2745 112.4479 112.5763 112.7071 112.9062 112.9570 113.2649 113.4948 113.7292 113.8142 113.9867 114.0331 114.6748 114.9123 115.0556 115.2310 115.4932 115.7769 116.0645 116.0981 116.3357 116.4103 116.7668 116.9406 117.1340 117.2250 117.3784 117.6585 117.7285 117.7718 118.2705 118.3528 118.6395 118.8075 119.3783 119.4363 119.5998 119.7585 119.8205 120.5846 120.9866 121.1539 121.6107 122.1011 122.1934 122.3066 122.5003 122.8290 123.5557 123.7000 123.8660 124.0005 124.6562 125.6759 125.8306 126.2267 126.3470 126.5446 127.4673 127.8732 127.9392 128.1681 128.8457 128.9501 129.2522 129.4675 129.4976 129.6967 130.1068 130.3932 130.6896 130.7624 130.9478 131.2977 131.3890 131.8661 132.0139 132.4453 132.7197 132.9851 133.4889 133.7166 134.6020 134.7160 134.9400 135.0890 135.2456 135.4673 136.1211 136.4809 136.7684 136.8859 137.6914 137.7777 138.4818 139.0959 139.5588 140.1898 140.5189 140.5700 141.6371 141.9169 142.1526 142.4945 143.2117 143.3256 143.5629 144.2034 144.4967 144.8141 144.8763 145.2885 145.4897 145.7851 146.2388 146.4044 146.8701 147.1138 147.2641 147.7921 148.0173 148.6960 149.2472 149.5936 149.7568 150.1754 150.2368 150.6163 150.8424 151.1069 151.3125 151.6643 152.2099 152.3709 152.6700 153.0416 153.2556 153.6875 154.0795 154.3624 154.9053 155.8865 156.7034 157.8113 158.0883 158.4429 159.2036 159.3427 160.3038 161.4923 161.9563 162.3532 162.7673 163.2119 164.1603 164.6786 164.7577 165.0875 166.4106 166.6986 168.4291 169.4647 169.9453 170.7053 171.2910 172.4735 173.1242 174.2617 175.8809 176.0109 176.5510 177.0761 177.2440 177.5106 178.5592 179.8553 181.7825 182.6623 183.9354 184.0800 184.7638 185.7958 186.1556 186.6098 187.0199 187.9265 188.0272 188.1300 188.1406 188.2078 188.2630 188.3130 188.3483 188.5846 188.7219 188.8137 188.8476 189.0912 189.1320 189.1590 189.2013 189.2970 189.3219 189.4356 189.5160 189.6594 189.8138 190.4004 190.9619 192.0408 192.2924 192.3914 192.4835 192.6633 192.7106 193.3223 193.9998 194.1903 194.4081 194.5541 194.7495 195.2386 195.5176 195.6203 195.6853 196.3136 196.4124 197.1919 198.1900 198.5426 199.1625 199.1924 200.4380 200.6921 200.8281 201.4837 202.1923 202.6732 203.1488 203.2169 203.5793 204.5214 204.9904 205.1687 205.5569 206.5186 206.8526 207.2621 207.5079 208.8026 209.4150 209.9614 210.1874 212.7881 222.1200 223.5801 223.7317 227.8474 227.9556 228.1301 228.3638 229.0566 229.5004 229.7508 230.2161 230.2696 230.9515 231.9065 232.2602 232.5118 232.9326 234.4155 234.8748 235.0504 235.4099 238.8693 240.0645 240.6838 240.8535 241.1940 241.5467 242.9426 243.4532 244.1298 244.8079 244.9234 245.7945 246.3569 246.4722 246.5728 247.1208 247.3099 247.4574 247.8246 248.1521 248.7599 248.9989 249.7399 250.2209 295.4185 299.1118 312.9879 611.5251 614.4451 624.7543 628.6262 629.4919 630.3794 631.1484 631.5027 632.5695 633.5996 634.1640 634.7297 636.0860 643.1503 648.1952 652.4875 654.3357 715.5210 898.8982 905.5372 1197.3696 1198.7543 1206.5652 1212.8046 1554.4359 1555.8913 1559.8107 1560.4813 1561.5558 1562.3861 1563.8243 1565.7758 -0.0000000 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 Cl F F F F F F F F O O O O N N C C C C C C C C C C C C C C C C C H H H H H H H H H -0.070968 -0.179839 -0.186452 -0.198055 -0.206247 -0.200914 -0.165008 -0.157690 -0.165168 -0.309904 -0.253449 -0.488925 -0.444575 -0.172874 -0.154233 0.169453 0.177717 0.484460 0.048488 -0.121980 -0.185141 -0.214305 0.216235 -0.132482 0.421345 0.402416 0.310339 0.299087 -0.241359 -0.239668 -0.062861 0.579429 0.151358 0.140212 0.143770 0.140253 0.201195 0.193793 0.153116 0.152738 0.166693 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 Cl F F F F F F F F O O O O N N C C C C C C C C C C C C C C C C C H H H H H H H H H 17.0710 9.1798 9.1865 9.1981 9.2062 9.2009 9.1650 9.1577 9.1652 8.3099 8.2534 8.4889 8.4446 7.1729 7.1542 5.8305 5.8223 5.5155 5.9515 6.1220 6.1851 6.2143 5.7838 6.1325 5.5787 5.5976 5.6897 5.7009 6.2414 6.2397 6.0629 5.4206 0.8486 0.8598 0.8562 0.8597 0.7988 0.8062 0.8469 0.8473 0.8333 17.0000 9.0000 9.0000 9.0000 9.0000 9.0000 9.0000 9.0000 9.0000 8.0000 8.0000 8.0000 8.0000 7.0000 7.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 -0.0710 -0.1798 -0.1865 -0.1981 -0.2062 -0.2009 -0.1650 -0.1577 -0.1652 -0.3099 -0.2534 -0.4889 -0.4446 -0.1729 -0.1542 0.1695 0.1777 0.4845 0.0485 -0.1220 -0.1851 -0.2143 0.2162 -0.1325 0.4213 0.4024 0.3103 0.2991 -0.2414 -0.2397 -0.0629 0.5794 0.1514 0.1402 0.1438 0.1403 0.2012 0.1938 0.1531 0.1527 0.1667 1.2496 1.1290 1.1178 1.0857 1.0889 1.0988 1.1369 1.1519 1.1409 2.1140 2.1122 2.0234 2.0700 3.2483 3.2184 3.8291 3.8917 4.3109 4.0301 4.0120 4.0336 3.9913 4.1168 3.5487 4.3151 4.0781 3.9311 3.9594 3.9613 3.9571 3.8118 4.6356 1.0126 1.0503 1.0076 0.9962 1.0416 1.0083 1.0006 1.0007 0.9849 1.2496 1.1290 1.1178 1.0857 1.0889 1.0988 1.1369 1.1519 1.1409 2.1140 2.1122 2.0234 2.0700 3.2483 3.2184 3.8291 3.8917 4.3109 4.0301 4.0120 4.0336 3.9913 4.1168 3.5487 4.3151 4.0781 3.9311 3.9594 3.9613 3.9571 3.8118 4.6356 1.0126 1.0503 1.0076 0.9962 1.0416 1.0083 1.0006 1.0007 0.9849 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 1.1010 1.0829 1.0939 1.0665 1.0373 1.0591 1.1286 1.1696 1.1313 0.9368 1.1101 0.9894 1.1374 1.9026 1.8829 1.0411 1.2379 0.9159 1.0621 1.1977 0.9367 1.3648 1.4043 1.4312 1.3440 0.9452 1.4459 1.4901 0.9523 0.9303 0.9746 0.9825 0.9075 1.3275 1.3177 1.4609 1.4653 1.3838 0.9816 1.3768 0.9818 0.9662 0 18 1 17 2 17 3 22 4 26 5 27 6 31 7 31 8 31 9 15 9 17 10 22 10 31 11 24 12 25 13 16 13 24 13 36 14 24 14 25 14 37 15 18 15 19 16 20 16 21 17 22 18 20 19 21 19 32 20 33 21 34 22 35 23 25 23 26 23 27 26 28 27 29 28 30 28 38 29 30 29 39 30 40 -0.019683156 -2322.936345923276 -50.20132 46.55430 -3.64702 4.37307 -3.79975 0.57332 -2.91223 2.43450 -0.47772 3.72259 9.46206